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(Z) -4-Hydroxytamoxifen

CAT: 0957-S8956-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0957-S8956-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
68047-06-3
Synonyms
(Z) -4-OHT, trans-4-Hydroxytamoxifen, 4-Monohydroxytamoxifen
Target
Estrogen/progestogen Receptor
Applications
Endocrinology & Hormones
Smiles
CCC (=C (C1=CC=C (C=C1) O) C2=CC=C (C=C2) OCCN (C) C) C3=CC=CC=C3
Molecular Formula
C26H29NO2
Additionnal Information
(Z) -4-Hydroxytamoxifen ((Z) -4-OHT, trans-4-Hydroxytamoxifen, 4-Monohydroxytamoxifen) is a selective modulator of estrogen receptor (SERM) with IC50 of 3.3 nM for the [3H]oestradiol binding to oestrogen receptor.
Storage Conditions
3 years -20°C powder

Chemical Information

4-Hydroxytamoxifen

Afimoxifene is a tertiary amino compound that is tamoxifen in which the phenyl group which is in a Z- relationship to the ethyl substituent is hydroxylated at the para- position. It is the active metabolite of tamoxifen. It has a role as a metabolite, an antineoplastic agent and an estrogen receptor antagonist. It is a member of phenols and a tertiary amino compound. It is functionally related to a tamoxifen.

CAS Number68047-06-3
PubChem CID449459
IUPAC Name4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
Molecular FormulaC26H29NO2
Molecular Weight387.5
XLogP6.8
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity493
SMILES
CC/C(=C(\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3
InChI
InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
InChIKey
TXUZVZSFRXZGTL-QPLCGJKRSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxytamoxifen
CAS: 68047-06-3
CID: 449459
Formula: C26H29NO2
MW: 387.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.5
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass387.219829168
Monoisotopic Mass387.219829168
Topological Polar Surface Area32.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity493
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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